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Octadecenoic acid, 9-(Z)- (1TMS)

 

Replica Mass Spectra of Octadecenoic acid, 9-(Z)- (1TMS)

replicalib entry datedetectionmethodspecies
1603 November 2010  Schomburg_GC_2010 
122 January 2005 MS-QUADM[ROE] 
301 May 2001 MS-TOFM[EIGTMS]Standard
401 February 2005 MS-TOFM[6]Reference Substance
501 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
601 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
1730 March 2011  Fiehn_GC_2010 
719 July 2007 MS-TOFVAR5Reference Substance
812 May 2005  M[NIST] 
901 September 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
17 spectrum(a)
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Spectrum Details

analyteOctadecenoic acid, 9-(Z)- (1TMS)
analyte InChIInChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12-
analyte mass354.64
chromatogram6069hf_57
citation 
authorsBoelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date19 July 2007
metabolite roleMETB
retention time (sec)748.68
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)75
maximal intensity866,438
mass-intensity-peaks cardinality530 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=92062533-9b5c-4603-8592-21f9c8e47a63
download MSPSpectrumMsp.ashx?id=92062533-9b5c-4603-8592-21f9c8e47a63

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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